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Entrectinib

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Identification
Molecular formula
C31H34ClN5O3
CAS number
1108743-60-7
IUPAC name
3-amino-6-chloro-N-(diaminomethylene)-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide
State
State

Entrectinib is typically solid at room temperature, where it maintains its stability and can be handled for pharmaceutical uses.

Melting point (Celsius)
135.50
Melting point (Kelvin)
408.70
Boiling point (Celsius)
345.40
Boiling point (Kelvin)
618.50
General information
Molecular weight
560.09g/mol
Molar mass
560.0590g/mol
Density
1.4236g/cm3
Appearence

Entrectinib typically appears as a white to off-white solid. It is often supplied in crystalline form.

Comment on solubility

Solubility of 3-amino-6-chloro-N-(diaminomethylene)-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide

The solubility of the compound 3-amino-6-chloro-N-(diaminomethylene)-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide (C31H34ClN5O3) is influenced by several factors, including polarity, functional groups, and temperature. Understanding these parameters is key to predicting its behavior in various solvents.

Factors Affecting Solubility:

  • Polarity: The presence of polar groups like carboxamides enhances solubility in polar solvents such as water.
  • Functional Groups: The complex structure with amino and chloro groups may increase interactions with solvents, potentially leading to solubility.
  • Temperature Impact: Higher temperatures typically increase solubility for many compounds, although this could vary depending on the structure.

In general, compounds similar to C31H34ClN5O3 may exhibit limited solubility in water, necessitating the use of organic solvents for dissolution. This can significantly impact their application in pharmaceuticals, as solubility is a critical factor for bioavailability and therapeutic effectiveness.

To summarize, the solubility profile of this compound is likely to be influenced by:

  1. The presence of both polar and non-polar components in the structure
  2. The environment in which it is placed
  3. The interactions between the compound and solvent molecules

Ultimately, further empirical studies and experimentation are essential to establish the precise solubility characteristics of this intriguing chemical entity.

Interesting facts

Interesting Facts about 3-amino-6-chloro-N-(diaminomethylene)-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide

The compound 3-amino-6-chloro-N-(diaminomethylene)-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide presents a fascinating structure that has garnered interest in the field of medicinal chemistry. Its complex molecular architecture includes several key functional groups that significantly contribute to its chemical behavior:

  • Amino Groups: The presence of multiple amino groups opens avenues for hydrogen bonding, which can impact solubility and biological interactions.
  • Chloro Substituent: Chlorine atoms in organic compounds often enhance lipophilicity and can influence the reactivity of the compound.
  • Pyrazine Ring: This bicyclic structure is commonly found in various pharmaceuticals and can play a crucial role in biological activity.

Moreover, the specific arrangement of ethyl and isopropyl groups surrounding the amino moiety can lead to subtle changes in pharmacodynamics and pharmacokinetics. As a result, the compound could serve as a potential candidate for developing therapeutic agents targeting specific biochemical pathways.

Applications and Research Directions

Here are some intriguing applications and research directions related to this compound:

  • Anticancer Research: Compounds with similar structures have been investigated for their potential to inhibit tumor growth.
  • Antimicrobial Activity: The various substituents might enhance the compound's efficacy against bacterial or fungal strains.
  • Structure-Activity Relationship (SAR) Studies: Understanding how modifications to the molecular structure affect the activity will be crucial for drug design and development.

In summary, the intricate structure and promising biological potential of 3-amino-6-chloro-N-(diaminomethylene)-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide make it a subject of considerable interest in the chemical and pharmaceutical fields. Further investigation could reveal new therapeutic options and deepen our understanding of related compounds.

Synonyms
EIPA
1154-25-2
5-(N-Ethyl-N-isopropyl)amiloride
Ethylisopropylamiloride
5-(Ethylisopropyl)amiloride
Ethyl isopropyl amiloride
5-(N-Ethyl-N-isopropyl) Amiloride
3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
5-(N-ethyl-N-isopropyl)-Amiloride
VW50CE070T
3-Amino-N-(aminoiminomethyl)-6-chloro-5-[ethyl(1-methylethyl)amino]-2-pyrazinecarboxamide
N-Amidino-3-amino-5-ethylisopropylamino-6-chloropyrazine carboxamide
3-Amino-N-carbamimidoyl-6-chloro-5-(ethyl(isopropyl)amino)pyrazine-2-carboxamide
MFCD00151710
3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide
3-Amino-N-(aminoiminomethyl)-6-chloro-5-(ethyl(1-methylethyl)amino)pyrazinecarboxamide
CHEMBL517986
CHEBI:136538
DTXSID80151084
2-Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro-5-[ethyl(1-methylethyl)amino]-
Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro-5-(ethyl(1-methylethyl)amino)-
MH-12-43
L593754;MH 12-43
L-593754
2-PYRAZINECARBOXAMIDE, 3-AMINO-N-(AMINOIMINOMETHYL)-6-CHLORO-5-(ETHYL(1-METHYLETHYL)AMINO)-
UNII-VW50CE070T
3-amino-6-chloro-N-(diaminomethylidene)-5-(ethyl(propan-2-yl)amino)pyrazine-2-carboxamide
Lopac-A-3085
cid_1795
Lopac0_000045
REGID_for_CID_1795
MLS000860017
GTPL4186
SCHEMBL9852524
DTXCID1073575
SCHEMBL23663987
HMS2235B09
HMS3260I11
HMS3740E09
Tox21_500045
5''-(N-ethyl-N-isopropyl)amiloride
BDBM50270005
EX-A10494
AKOS024281351
AKOS030241586
CCG-204141
CS-7935
FE16546
LP00045
SDCCGSBI-0050034.P002
NCGC00015047-01
NCGC00015047-02
NCGC00015047-03
NCGC00015047-04
NCGC00015047-05
NCGC00015047-06
NCGC00093559-01
NCGC00093559-02
NCGC00260730-01
AS-30503
SMR000326875
DB-041266
HY-101840
EU-0100045
L593754;MH 12-43;Ethylisopropylamiloride
A 3085
SR-01000075673
SR-01000075673-1
Q27077241
634-217-2